CID 134228861

5-bromo-3-fluoro-n1-isopropylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H12BrFN2
SMILES
CC(C)NC1=C(C(=CC(=C1)Br)F)N
InChI
InChI=1S/C9H12BrFN2/c1-5(2)13-8-4-6(10)3-7(11)9(8)12/h3-5,13H,12H2,1-2H3
InChIKey
CIBDMJBMTHODJH-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

246.01678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02406 147.4
[M+Na]+ 269.00600 158.3
[M-H]- 245.00950 152.2
[M+NH4]+ 264.05060 167.8
[M+K]+ 284.97994 146.3
[M+H-H2O]+ 229.01404 145.4
[M+HCOO]- 291.01498 168.3
[M+CH3COO]- 305.03063 197.0
[M+Na-2H]- 266.99145 151.6
[M]+ 246.01623 162.4
[M]- 246.01733 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe